Keywords: LC; liquid chromatography; MS; mass spectrometry; MS/MS; tandem mass spectrometry; UPLC; ultra-high-performance liquid chromatography; MRM; multiple reaction monitoring; ESCC; esophageal squamous cell carcinoma; LC-MS; liquid chromatography-mass spectrome
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Keywords: PTSD; Metabolomics; Glycomics; Clinical data; Animal models; Theranostic biomarkers; Patients; ACTH; adenocorticotropic hormone; APCI; atmospheric pressure chemical ionization; BDNF; brain derived neurotropic factor; CE; capillary electrophoresis; CE-MS;
Keywords: Reticular oral lichen planus; Metabolomics analysis; Oral mucosa; ESI; electrospray ionization; LC; liquid chromatography; MS; mass spectrometry; NO; nitric oxide; OLP; oral lichen planus; OPLS-DA; orthogonal partial least-squares-discriminant analysis; P
Keywords: Polybrominated diphenyl ethers; Endocrine-disrupting compounds; Adipose tissue; Insulin sensitivity; Insulin resistance; Obesity; ASE; Accelerated Solvent Extraction; OPLS-DA; An orthogonal partial least squares discriminant analysis; BMI; Body mass index
Keywords: ASD; autism spectrum disorders; CV; coefficient of variation; CV-ANOVA; cross-validation analysis of variance; ESI; electrospray ionization; GC-MS; gas chromatography coupled to mass spectrometry; 1H NMR and 1H-13C NMR; nuclear magnetic resonance of pro
Keywords: Oral squamous cell carcinoma; Head and neck cancer; Tongue cancer; OPLS-DA; Tissue proteomics; CA1; S100A7; Neutrophil defensin 1; ANP32B; Immunohistochemistry; ALYREF; THO complex subunit 4; ANP32B; Acidic leucine-rich nuclear phosphoprotein 32 family me
Keywords: Carbon deficiency stress; carbon???nitrogen metabolism; coordinated regulation; metabolomics; transcriptomics; PCA; principal component analysis; OPLS-DA; orthogonal partial least squares-discriminant analysis; C; carbon; N; nitrogen; TEM; transmission el
Keywords: Garlic; Authenticity; Geographical origin; Metabolomics; High resolution mass spectrometry; Opls-Da; Classification; Food composition; Food analysis;
Keywords: 1H NMR; proton nuclear magnetic resonance; UPLC-Q-TOF/MS; ultra performance liquid chromatography quadrupole time-of-flight mass spectrometry; COX-2; cyclooxygenase-2; mRNA; messenger ribonucleic acid; PPARγ; peroxisome proliferator-activated receptor ga
Keywords: LTLT; low-temperature-long-time drying; HTST; high-temperature-short-time drying; MVDA; multivariate data analysis; 1H NMR; proton Nuclear Magnetic Resonance; GC; Gas Chromatography; VL; viable larvae; FL; frozen larvae; LD50; larvae dried at 50â¯Â°C for
Keywords: Cattle; Anabolic; Blood; Metabolite; Screening; Corticosteroid; EDTA; Ethylenediaminetetraacetic acid; MW; molecular weight; m/z; mass to charge ratio; AMRTP; accurate mass and retention time pair; QC; quality control; FC; Fold Change; RSD; relative stand
Keywords: Wood-based biomass; Reed canary grass; Pyrolysis cyclone; PCA; OPLS-DA; Prediction;
Keywords: HD; Sulfur mustard; CWA; Chemical warfare agent; CWC; Chemical weapons convention; CAS; Chemical attribution signature; TDG; Thiodiglycol; OPLS-DA; Orthogonal partial least squares - discriminant analysis; PCA; Principal component analysis; PC; Principa
Keywords: Glycine soja; Metabolomics; Salt stress; Salt tolerance; AS; Alkali-salt stress; BSTFA; Bis-(trimethylsilyl)trifluoroacetamide; Car; carotenoids; Chl a; chlorophyll a; Chl b; chlorophyll b; Chl t; total chlorophyll content; Ci/Ca; CO2 concentration differ
Keywords: Cer; ceramide; EPP; erythropoietic protoporphyria; FECH; ferrochelatase; MS/MS; tandem mass spectrometry; OPLS-DA; orthogonal projection to latent structures-discriminant analysis; PC; phosphatidylcholine; PCA; principal component analysis; PPIX; protopor
Keywords: ADP; adenosine diphosphate; ANOVA; one-way analysis of variance; APTT; activated partial thromboplastin time; ASP; aspirin; CLO; clopidogrel; CVD; cardiovascular diseases; eNOS; endothelial nitric oxide synthase; ET; endothelin; FIB; fibrinogen concentrat
Keywords: DSS; dextran sulfate sodium; UC; ulcerative colitis; Pal; palmatine; IBD; inflammatory bowel disease; UPLC-MS; ultra-performance liquid chromatography coupled with mass spectrometry; DAI; assessment of disease activity index; SASP; sulfasalazine; H&E; hem
Keywords: Antifungal activity; Functional genomics; Fungal resistance; Succinate Dehydrogenase Inhibitors (SDHIs); Fungal metabolomics; Structure-function; ABC; ATP-binding cassette (ABC); CM; standard complete medium; HCA; hierarchical cluster analysis; KEGG; Kyot
Metabolomic profiling of doxycycline treatment in chronic obstructive pulmonary disease
Keywords: COPD; chronic obstructive pulmonary disease; WHO; World health organization; FEV1; forced expiratory volume in 1Â s; FVC; forced vital capacity; CAT; COPD Assessment Test; SGRQ; St George's respiratory questionnaire; MMP; matrix metalloproteases; NMR; n
Metabolomic study for monitoring of biomarkers in mouse plasma with asthma by gas chromatography-mass spectrometry
Keywords: AA; amino acid; OA; organic acid; FA; fatty acid; EOC; ethoxicarbonylation; MO; methoximation; TBDMS; tert butyldimethylsilylation; PCA; principal component analysis; OPLS-DA; orthogonal partial least-squares-discriminant analysis; LOO; leave-one-out; 3-N
Variation in essential oil composition of Leonotis leonurus, an important medicinal plant in South Africa
Keywords: GC-MS-FID; GCxGC-ToF-MS; PCA; THC; OPLS-DA; Chemometrics;
The influence of pre-fermentative maceration and ageing factors on ester profile and marker determination of Pedro Ximenez sparkling wines
Keywords: Aroma; Ester; Volatile; Chemometrics; Multivariate analyses; Sparkling wines; OPLS-DA; Markers;
Keywords: AEFI; Adverse Events Following Immunizations; NMR; nuclear magnetic resonance; SSFI; systemic symptoms following immunization; CAD; coronary artery disease; DSS-D6; 4-dimethyl-4-silapentane-1-sulfonic acid; PCA; principal components analysis; OPLS-DA; ort
Study the therapeutic mechanism of Amomum compactum in gentamicin-induced acute kidney injury rat based on a back propagation neural network algorithm
Keywords: AKI; acute kidney injury; AC; Amomum compactum; UPLC Q-TOF-MS; ultra-performance liquid chromatography together with quadrupole time-of-flight mass spectrometry; BP; back propagation; OPLS-DA; orthogonal partial least squares discriminant analysis; TCM; t
Keywords: NAc; nucleus accumbens; PFC; prefrontal cortex; UPLC/Q-TOF-MS; ultra-performance liquid chromatography/quadrupole-time-of-flight mass spectrometry; OPLS-DA; orthogonal partial least squares discriminant analysis; CE; cholesterylester; Cer; ceramide; CerP;
Keywords: AML; acute myeloid leukemia; MUFA; monounsaturated fatty acid; CML; chronic myelogenous leukemia; ALL; acute lymphoblastic leukemia; FAO; fatty acid oxidation; CPT1a; carnitine palmitate transferase 1a; SCD1; stearoyl CoA desaturase 1; FAB; French-America
Keywords: Treatment efficacy; Chemometric algorithms; Multivariate data analysis; Periodontal disease; Chlorhexidine; GCF; gingival crevicular fluid; ALP; alkaline phosphatase; AST; aspartate aminotransferase; LDH; lactate dehydrogenase; IL-1β; interleukin -1 beta
Keywords: BPI; based peak intensity; OLP; oral lichen planus; OPLS-DA; orthogonal projection to latent structures discriminate analysis; UPLC-QTOF-MS; ultra-performance liquid chromatography-quadrupole time-of-flight-mass spectrometry; VIP; variable importance of p
Integrative hepatoprotective efficacy comparison of raw and vinegar-baked Radix Bupleuri using nuclear magnetic resonance-based metabolomics
Keywords: RB; Radix Bupleuri; TCM; Traditional Chinese Medicine; NMR; Nuclear magnetic resonance; VBRB; vinegar-baked Radix Bupleuri; R-VBRB; vinegar-baked Radix Bupleuri by rice vinegar; S-VBRB; vinegar-baked Radix Bupleuri by Shanxi vinegar; PCA; the principal co
Keywords: DOX; doxycycline; GCF; gingival crevicular fluid; PCA; principal component analysis; PLS-DA; partial least square discriminant analysis; OPLS-DA; orthogonal partial least square-discriminant analysis; CHX; chlorhexidine; HCA; hierarchical cluster analysis
Keywords: NMR; nuclear magnetic resonance; PCA; principal component analysis; DmodX; distance to model; OPLS-DA; orthogonal projection on latent structure-discriminant analysis; SUS; shared and unique structure; TMAO; trimethylamine N-oxide; ADMA; asymmetric dimeth
Keywords: ALS; amyotrophic lateral sclerosis; AHBT; α-hydroxybutyrate; CSF; cerebrospinal fluid; BHBT; β-hydroxybutyrate; Crn; creatine-creatinine; DModX; distance to model plot; DRSA; dominance-based rough set approach; Gln; glutamine; NMR; 1H Nuclear Magnetic
Keywords: Metabolomics; LC-MS; OPLS-DA; Phytoalexin; Fusarium wilt; Chickpea;
Keywords: 4CL; 4-coumaroyl CoA ligase; ADME/T; absorption, distribution, metabolism, excretion (and toxicity); BIA; benzylisoquinoline alkaloid; C4H; cinnamate 4-hydroxylase; CoA; coenzyme A; CRISPR/Cas9; clustered regulatory interspaced short palindromic repeat/CR
Keywords: Equine; OPLS-DA; PLS-DA;
Keywords: MS; mass spectrometry; UPLC; ultraperformance liquid chromatography; UPLC-ESI-QTOFMS; UPLC-electrospray ionization-quadrupole time-of-flight MS; LCMS; liquid chromatography-mass spectrometry; GCMS; gas chromatography-mass spectrometry; NMR; nuclea
Keywords: 1H NMR; proton nuclear magnetic resonance; ADMA; asymmetric dimethylarginine; ADP; adenosine diphosphate; AGA; appropriate for gestational age; AKD; acute kidney disease; AKI; acute kidney injury; AMP; adenosine monophosphate; BALF; bronchoalveolar lavage
Keywords: Ultrafine granular powder of Shanyao; Near-infrared reflectance spectroscopy; Quality control; OPLS-DA; PLS; iPLS; siPLS
Variations in the accumulation of three secondary metabolites in Euclea undulata Thunb. var. myrtina as a function of seasonal changes
Keywords: CH3OH-d4; deuterated methanol; D2O; deuterium water; HCA; hierarchical cluster analysis; KH2PO4; potassium dihydrogen phosphate; MVDA; multivariate data analysis; NMR; nuclear magnetic resonance; OPLS-DA; orthogonal partial least square discriminatory ana
Integrated metabolomic and transcriptomic analyses revealed the distribution of saponins in Panax notoginseng
Keywords: AACT; acetoacetyl-CoA acyltransferase; DS; dammarenediol-II synthase; DXPS; 1-deoxy-d-xylulose 5-phosphate synthase; DXPR; 1-deoxy-d-xylulose 5-phosphate reductoisomerase; FPS; farnesyl pyrophosphate synthase; FPP; farnesyl diphosphate; GDPS; gerenyl diph
Gold nanorods as SERS substrate for the ultratrace detection of cocaine in non-pretreated oral fluid samples
Keywords: COC; cocaine; NP; nanoparticle; NR; nanorod; NS; nanosphere; OF; oral fluid; OPLS-DA; orthogonal partial least Squares to Latent Structures-Discriminate Analysis; SERS; surface enhanced Raman spectroscopy; SPR; surface plasmon resonance; TEM; transmission
Comprehensive hippocampal metabolite responses to PM2.5 in young mice
Keywords: AD; Alzheimer's disease; AMDIS; automatic mass spectral deconvolution and identification system; ATP; adenosine triphosphate; ADP; adenosine diphosphate; CNS; central nervous system; GC-MS; gas chromatography-mass spectrometer; OPLS-DA; orthogonal PLS-DA;
Chemical profiling in Moutan Cortex after sulfuring and desulfuring processes reveals further insights into the quality control of TCMs by nontargeted metabolomic analysis
Keywords: Moutan Cortex; Sulfuring; Desulfuring; UPLC/Q-TOF MS; OPLS-DA;
Exosomal lipids for classifying early and late stage non-small cell lung cancer
Keywords: Non-small cell lung cancer; Ultrahigh resolution Fourier transform mass spectrometry; Exosomal lipid profiling; Random forest; LASSO; AUROC; area under the receiver operator characteristic curve; UHR-FTMS; ultra high-resolution Fourier transform mass spec
Chinese patent medicine Xin-Ke-Shu inhibits Ca2+ overload and dysfunction of fatty acid β-oxidation in rats with myocardial infarction induced by LAD ligation
Keywords: CHD; coronary heart disease; MI; myocardial infarction; LAD; left anterior descending coronary artery ligation; ISO; isoprenaline; XKS; Xin-Ke-Shu; UPLC-Q-TOF/MS; ultra-high-performance liquid chromatography coupled with quadrupole time-of-flight mass spe
De novo transcriptome assembly, gene expressions and metabolites for flower color variation of two garden species in Brassicaceae
Keywords: ANS; anthocyanidin synthase; bHLH; basic-helix-loop-helix; CHS; chalcone synthase; C4H; cinnamate-4-hydroxylase; 4CL; 4-coumarate:CoA ligase; CHI; chalcone Isomerase; DEGs; differentially expressed genes; DFR; dihydroflavonol4-reductase; EGL3; enhancer of
Lipidomic signature of serum from the rats exposed to alcohol for one year
Keywords: GGT; gamma-glutamyl-transpeptidase; CDT; carbohydrate deficient transferring; EtG; ethyl glucuronide; HDL; high-density lipoprotein; NMR; nuclear magnetic resonance; Q-TOF/MS; quadrupole time of flight mass spectrometry; FIDs; free induction decays; PLS-D
Effects of sulfur-fumigation on the pharmacokinetics, metabolites and analgesic activity of Radix Paeoniae Alba
Keywords: AUC; area under the plasma concentration-time curve; BS; Radix Paeoniae Alba; CID; collision-induced dissociation; CL; clearance; Cmax; maximum plasma concentration; FDA; US Food and Drug Administration; HPLC/UV; high performance liquid chromatography/u
LC-MS based urinary metabolomics study of the intervention effect of aloe-emodin on hyperlipidemia rats
Keywords: Aloe-emodin; Urinary metabolomics; Hyperlipidemia; UPLC-ESI-QTOF-MS; OPLS-DA;
GLA supplementation regulates PHD2 mediated hypoxia and mitochondrial apoptosis in DMBA induced mammary gland carcinoma
Keywords: AA; arachidonic acid; AB; alveolar bud; AAA; aromatic amino acid; BCAA; branched chain amino acid; BSA; bovine serum albumin; BMRB; biological magnetic resonance databank; CEC; cuboidal epithelial cell; CPMG; carr-purcell-meiboom-gill; DMBA; 7, 12-d